Information card for entry 7023239

Structure parameters

• Formula: C51 H79 Cu2 N4 O5.5
• Calculated formula: C51 H76 Cu2 N4 O5.5
• Title of publication: Ligand dependent self-assembly of hydroxido-bridged dicopper units templated by sodium ion.
• Authors of publication: Sarkar, Avijit; Paital, Alok Ranjan; Khan, Rais Ahmad; Arjmand, Farukh; Bertolasi, Valerio; Mathonière, Corine; Clérac, Rodolphe; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12495 - 12506
• a: 23.2607 ± 0.0012 Å
• b: 19.7554 ± 0.001 Å
• c: 28.1663 ± 0.0014 Å
• α: 90°
• β: 101.914 ± 0.0015°
• γ: 90°
• Cell volume: 12664.3 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No